6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol

C7H5F3N2O4 — CID 130111846

IUPAC6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
SMILESCc1ncc(O)c([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O4/c1-3-6(16-7(8,9)10)5(12(14)15)4(13)2-11-3/h2,13H,1H3
InChIKeyVGNVHBNPTQJWIQ-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.90
Rot. Bonds2

About 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol

6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111846) has the molecular formula C7H5F3N2O4 and a molecular weight of 238.12 g/mol. Its IUPAC name is 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111846
Molecular FormulaC7H5F3N2O4
Molecular Weight238.12 g/mol
Exact Mass238.02
IUPAC Name6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
SMILESCc1ncc(O)c([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O4/c1-3-6(16-7(8,9)10)5(12(14)15)4(13)2-11-3/h2,13H,1H3
InChIKeyVGNVHBNPTQJWIQ-UHFFFAOYSA-N
XLogP1.90
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
methyl 2-[5-hydroxy-4-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134678454
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
ethyl 2-[5-hydroxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661613
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111911
ethyl 2-methyl-5-nitro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134662340
2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
ethyl 2-[2-methyl-5-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134671389
ethyl 5-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134672833
4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 118829972

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol (CID 130111846) is 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol is Cc1ncc(O)c([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is VGNVHBNPTQJWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4/c1-3-6(16-7(8,9)10)5(12(14)15)4(13)2-11-3/h2,13H,1H3.
What are the key properties of 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol?
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 238.12 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).